异丁胺
TL;DR: 异丁胺 (CAS 78-81-9) is a chemical compound with molecular formula C4H11N and molecular weight 73.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异丁胺
2-methylpropan-1-amine
Also Known As: ISOBUTYLAMINE, 2-methylpropan-1-amine, Valamine, 2-Methylpropylamine, Monoisobutylamine
| Molecular Formula | C4H11N |
|---|---|
| Molecular Weight | 73.09 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 73.08915 |
| Heavy Atoms | 5 |
| Complexity | 17.0 |
| Melting Point | -85.0 °C |
| Boiling Point | 154 to 68.9 °C at 760 mmHg |
| Density | 0.739 at 20.0 °C - Less dense than water; will float |
| Solubility | Very soluble (NTP, 1992) |
| Flash Point | -9.4 °C |
| Vapor Pressure | 100 mmHg at 18.8 °C |
| Refractive Index | 1.3988 at 17 °C |
Chemical Identifiers
| CAS Number | 78-81-9 |
|---|---|
| SMILES | CC(C)CN |
| InChIKey | KDSNLYIMUZNERS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异丁胺 (CAS 78-81-9), with molecular formula C4H11N and molecular weight 73.09 g/mol. IUPAC: 2-methylpropan-1-amine.
Chemical Property Profile of 异丁胺
Property Insights of 异丁胺
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异丁胺. With a topological polar surface area (TPSA) of 26.0 Ų, 异丁胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异丁胺 has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 异丁胺?
The CAS number of 异丁胺 is 78-81-9.
What is the molecular formula of 异丁胺?
The molecular formula of 异丁胺 is C4H11N.
What is the molecular weight of 异丁胺?
The molecular weight of 异丁胺 is 73.09 g/mol.
Where can I buy 异丁胺?
You can request a quote for 异丁胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异丁胺?
Yes, KEHONG BIO provides custom synthesis services for 异丁胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.